5-[[cyclohexyl(methyl)sulfamoyl]amino]-1H-1,2,4-triazole

C9H17N5O2S — CID 62945492

IUPAC5-[[cyclohexyl(methyl)sulfamoyl]amino]-1H-1,2,4-triazole
SMILESCN(C1CCCCC1)S(=O)(=O)Nc1ncn[nH]1
InChIInChI=1S/C9H17N5O2S/c1-14(8-5-3-2-4-6-8)17(15,16)13-9-10-7-11-12-9/h7-8H,2-6H2,1H3,(H2,10,11,12,13)
InChIKeyUHUUZZSNPJJZEO-UHFFFAOYSA-N
MW259.33 g/mol
LogP0.73
Rot. Bonds4

About 5-[[cyclohexyl(methyl)sulfamoyl]amino]-1H-1,2,4-triazole

5-[[cyclohexyl(methyl)sulfamoyl]amino]-1H-1,2,4-triazole (PubChem CID 62945492) has the molecular formula C9H17N5O2S and a molecular weight of 259.33 g/mol. Its IUPAC name is 5-[[cyclohexyl(methyl)sulfamoyl]amino]-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-[[cyclohexyl(methyl)sulfamoyl]amino]-1H-1,2,4-triazole
PubChem CID62945492
Molecular FormulaC9H17N5O2S
Molecular Weight259.33 g/mol
Exact Mass259.11
IUPAC Name5-[[cyclohexyl(methyl)sulfamoyl]amino]-1H-1,2,4-triazole
SMILESCN(C1CCCCC1)S(=O)(=O)Nc1ncn[nH]1
InChIInChI=1S/C9H17N5O2S/c1-14(8-5-3-2-4-6-8)17(15,16)13-9-10-7-11-12-9/h7-8H,2-6H2,1H3,(H2,10,11,12,13)
InChIKeyUHUUZZSNPJJZEO-UHFFFAOYSA-N
XLogP0.73
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[[cyclohexyl(methyl)sulfamoyl]amino]-1H-1,2,4-triazole?
The IUPAC name of 5-[[cyclohexyl(methyl)sulfamoyl]amino]-1H-1,2,4-triazole (CID 62945492) is 5-[[cyclohexyl(methyl)sulfamoyl]amino]-1H-1,2,4-triazole.
What is the SMILES notation for 5-[[cyclohexyl(methyl)sulfamoyl]amino]-1H-1,2,4-triazole?
The canonical SMILES for 5-[[cyclohexyl(methyl)sulfamoyl]amino]-1H-1,2,4-triazole is CN(C1CCCCC1)S(=O)(=O)Nc1ncn[nH]1.
What is the InChIKey of 5-[[cyclohexyl(methyl)sulfamoyl]amino]-1H-1,2,4-triazole?
The InChIKey is UHUUZZSNPJJZEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O2S/c1-14(8-5-3-2-4-6-8)17(15,16)13-9-10-7-11-12-9/h7-8H,2-6H2,1H3,(H2,10,11,12,13).
What are the key properties of 5-[[cyclohexyl(methyl)sulfamoyl]amino]-1H-1,2,4-triazole?
5-[[cyclohexyl(methyl)sulfamoyl]amino]-1H-1,2,4-triazole has a molecular weight of 259.33 g/mol, XLogP of 0.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[cyclohexyl(methyl)sulfamoyl]amino]-1H-1,2,4-triazole is sourced from PubChem (CID 62945492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).